Information card for entry 7124809

Structure parameters

• Chemical name: NbO-Pd-1
• Formula: C12 H6 Cl2 Cu2 N2 O10 Pd
• Calculated formula: C12 H6 Cl2 Cu2 N2 O10 Pd
• Title of publication: Exceptional gravimetric and volumetric CO2 uptake in a palladated NbO-type MOF utilizing cooperative acidic and basic, metal-CO2 interactions.
• Authors of publication: Spanopoulos, I.; Bratsos, I.; Tampaxis, C.; Vourloumis, D.; Klontzas, E.; Froudakis, G. E.; Charalambopoulou, G.; Steriotis, T. A.; Trikalitis, P. N.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 69
• Pages of publication: 10559 - 10562
• a: 18.899 ± 0.006 Å
• b: 18.899 ± 0.006 Å
• c: 31.69 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9802 ± 6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.2933
• Weighted residual factors for all reflections included in the refinement: 0.2946
• Goodness-of-fit parameter for all reflections included in the refinement: 2.415
• Diffraction radiation wavelength: 0.6889 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No